4-amino-1-heptylpyrazole-3-carboxamide

C11H20N4O — CID 107345098

IUPAC4-amino-1-heptylpyrazole-3-carboxamide
SMILESCCCCCCCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-7-15-8-9(12)10(14-15)11(13)16/h8H,2-7,12H2,1H3,(H2,13,16)
InChIKeyVJVFUDUFHMVXPF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.53
Rot. Bonds7

About 4-amino-1-heptylpyrazole-3-carboxamide

4-amino-1-heptylpyrazole-3-carboxamide (PubChem CID 107345098) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-1-heptylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-heptylpyrazole-3-carboxamide
PubChem CID107345098
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-1-heptylpyrazole-3-carboxamide
SMILESCCCCCCCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-7-15-8-9(12)10(14-15)11(13)16/h8H,2-7,12H2,1H3,(H2,13,16)
InChIKeyVJVFUDUFHMVXPF-UHFFFAOYSA-N
XLogP1.53
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-heptylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-heptylpyrazole-3-carboxamide (CID 107345098) is 4-amino-1-heptylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-heptylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-heptylpyrazole-3-carboxamide is CCCCCCCn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-heptylpyrazole-3-carboxamide?
The InChIKey is VJVFUDUFHMVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-4-5-6-7-15-8-9(12)10(14-15)11(13)16/h8H,2-7,12H2,1H3,(H2,13,16).
What are the key properties of 4-amino-1-heptylpyrazole-3-carboxamide?
4-amino-1-heptylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-heptylpyrazole-3-carboxamide is sourced from PubChem (CID 107345098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).